N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide

C12H12ClNO3S — CID 100728789

IUPACN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
SMILESCO[C@H](CNC(=O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c1-16-9(10-2-3-11(13)18-10)6-14-12(15)8-4-5-17-7-8/h2-5,7,9H,6H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyCYWQHVCCDKURAA-SECBINFHSA-N
MW285.75 g/mol
LogP3.11
Rot. Bonds5

About N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide

N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide (PubChem CID 100728789) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
PubChem CID100728789
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
SMILESCO[C@H](CNC(=O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c1-16-9(10-2-3-11(13)18-10)6-14-12(15)8-4-5-17-7-8/h2-5,7,9H,6H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyCYWQHVCCDKURAA-SECBINFHSA-N
XLogP3.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 91630969
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide
CID 100727450
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide (CID 100728789) is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide is CO[C@H](CNC(=O)c1ccoc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide?
The InChIKey is CYWQHVCCDKURAA-SECBINFHSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-16-9(10-2-3-11(13)18-10)6-14-12(15)8-4-5-17-7-8/h2-5,7,9H,6H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide?
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide is sourced from PubChem (CID 100728789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).